EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:227675 - Oxytropiol F

ChEBI IDCHEBI:227675
ChEBI NameOxytropiol F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O5
Net Charge0
Average Mass284.352
Monoisotopic Mass284.16237
SMILESCC(C)C1=C[C@@H]2[C@H](C)[C@@H](O)[C@H](O)[C@H]2[C@](O)(CO)CC1=O
InChIInChI=1S/C15H24O5/c1-7(2)9-4-10-8(3)13(18)14(19)12(10)15(20,6-16)5-11(9)17/h4,7-8,10,12-14,16,18-20H,5-6H2,1-3H3/t8-,10+,12-,13+,14+,15+/m0/s1
InChIKeyJMZPBDMUFBEWDQ-AFTMHEMKSA-N
Species of MetaboliteComponentSourceComments
Alternaria oxytropis (ncbitaxon:570715) - PubMed (31151062)
ChEBI Ontology
Outgoing Relation(s)
Oxytropiol F (CHEBI:227675) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,2R,3R,3aS,4S,8aR)-2,3,4-trihydroxy-4-(hydroxymethyl)-1-methyl-7-propan-2-yl-1,2,3,3a,5,8a-hexahydroazulen-6-one